(2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide

C18H19BrN2O3 — CID 94614584

IUPAC(2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide
SMILESC[C@H](C(=O)NC(C1CC1)C1CC1)N1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C18H19BrN2O3/c1-9(16(22)20-15(10-2-3-10)11-4-5-11)21-17(23)13-7-6-12(19)8-14(13)18(21)24/h6-11,15H,2-5H2,1H3,(H,20,22)/t9-/m1/s1
InChIKeyXSCOWWZYVJGZDU-SECBINFHSA-N
MW391.27 g/mol
LogP2.74
Rot. Bonds5

About (2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide

(2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide (PubChem CID 94614584) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is (2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide
PubChem CID94614584
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name(2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide
SMILESC[C@H](C(=O)NC(C1CC1)C1CC1)N1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C18H19BrN2O3/c1-9(16(22)20-15(10-2-3-10)11-4-5-11)21-17(23)13-7-6-12(19)8-14(13)18(21)24/h6-11,15H,2-5H2,1H3,(H,20,22)/t9-/m1/s1
InChIKeyXSCOWWZYVJGZDU-SECBINFHSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(4-bromo-3-oxobutan-2-yl)isoindole-1,3-dione
CID 174666403
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 112809978
N-[1-(3-bromophenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55591432
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
CID 115579378
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]propanamide
CID 112818214
methyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 67305870
N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119590379
2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]-2-cyclopropylacetic acid
CID 119213231
5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione
CID 106674883
5-bromo-2-(4-hydroxy-3-methylbutan-2-yl)isoindole-1,3-dione
CID 113484928
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 112833773

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide?
The IUPAC name of (2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide (CID 94614584) is (2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide?
The canonical SMILES for (2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide is C[C@H](C(=O)NC(C1CC1)C1CC1)N1C(=O)c2ccc(Br)cc2C1=O.
What is the InChIKey of (2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide?
The InChIKey is XSCOWWZYVJGZDU-SECBINFHSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-9(16(22)20-15(10-2-3-10)11-4-5-11)21-17(23)13-7-6-12(19)8-14(13)18(21)24/h6-11,15H,2-5H2,1H3,(H,20,22)/t9-/m1/s1.
What are the key properties of (2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide?
(2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide has a molecular weight of 391.27 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide is sourced from PubChem (CID 94614584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).